2-methyl-4-propyl-4,5-dihydro-1,3-oxazole

C7H13NO — CID 59112144

IUPAC2-methyl-4-propyl-4,5-dihydro-1,3-oxazole
SMILESCCCC1COC(C)=N1
InChIInChI=1S/C7H13NO/c1-3-4-7-5-9-6(2)8-7/h7H,3-5H2,1-2H3
InChIKeyDEJVQGHVHBQOHK-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.60
Rot. Bonds2

About 2-methyl-4-propyl-4,5-dihydro-1,3-oxazole

2-methyl-4-propyl-4,5-dihydro-1,3-oxazole (PubChem CID 59112144) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-4-propyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-propyl-4,5-dihydro-1,3-oxazole
PubChem CID59112144
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-4-propyl-4,5-dihydro-1,3-oxazole
SMILESCCCC1COC(C)=N1
InChIInChI=1S/C7H13NO/c1-3-4-7-5-9-6(2)8-7/h7H,3-5H2,1-2H3
InChIKeyDEJVQGHVHBQOHK-UHFFFAOYSA-N
XLogP1.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-methyl-4-propyl-4,5-dihydro-1,3-oxazole (CID 59112144) is 2-methyl-4-propyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-propyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-methyl-4-propyl-4,5-dihydro-1,3-oxazole is CCCC1COC(C)=N1.
What is the InChIKey of 2-methyl-4-propyl-4,5-dihydro-1,3-oxazole?
The InChIKey is DEJVQGHVHBQOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-7-5-9-6(2)8-7/h7H,3-5H2,1-2H3.
What are the key properties of 2-methyl-4-propyl-4,5-dihydro-1,3-oxazole?
2-methyl-4-propyl-4,5-dihydro-1,3-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59112144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).